ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006137
RECORD_TITLE: BUTYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL DECANOATE
CH$NAME: BUTYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY ZRNCNTSXSYXHOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4067565

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9300000000-111905d5b488987182df
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  29 3.48 35
  41 6.95 70
  43 13.74 137
  55 5.56 56
  56 99.99 999
  57 28.74 287
  58 1.4 14
  60 20.72 207
  61 12.33 123
  69 5.62 56
  70 1.27 13
  71 10.33 103
  73 17.2 172
  74 1.99 20
  81 1.49 15
  83 2.66 27
  84 3.02 30
  85 4.15 42
  87 4.37 44
  89 1.62 16
  95 1.67 17
  97 1.99 20
  99 2.31 23
  101 4.93 49
  103 1.33 13
  111 1.02 10
  115 2.2 22
  116 6.66 67
  117 1.98 20
  129 10.18 102
  143 1.5 15
  155 18.04 180
  156 1.97 20
  172 3.17 32
  173 29.21 292
  174 3.36 34
  185 1.12 11
  228 0.83 8
//